N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide

C17H20FN3O2 — CID 95151402

IUPACN-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCCC1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H20FN3O2/c1-11(19-16(22)17(2)9-3-4-10-17)15-20-14(21-23-15)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyWSYKNBGUXPVXCF-NSHDSACASA-N
MW317.36 g/mol
LogP3.63
Rot. Bonds4

About N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide

N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 95151402) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide
PubChem CID95151402
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCCC1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H20FN3O2/c1-11(19-16(22)17(2)9-3-4-10-17)15-20-14(21-23-15)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyWSYKNBGUXPVXCF-NSHDSACASA-N
XLogP3.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201
(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide
CID 94337405
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 49179718
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97089592
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 52507006
(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide
CID 95278188
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide (CID 95151402) is N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide is C[C@H](NC(=O)C1(C)CCCC1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is WSYKNBGUXPVXCF-NSHDSACASA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11(19-16(22)17(2)9-3-4-10-17)15-20-14(21-23-15)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide?
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 95151402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).